Information card for entry 7130697

Structure parameters

• Formula: C124 H120 Cl4 Fe2 N38 O16
• Calculated formula: C92 H72 Cl4 Fe2 N22 O16
• Title of publication: The template effect of a SiF₆^2- guest drives the formation of a heteroleptic Fe(II) coordination helicate.
• Authors of publication: Capó, Nuria; Barrios, Leoní A; Cardona, Joan; Ribas-Ariño, Jordi; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 78
• Pages of publication: 10969 - 10972
• a: 18.685 ± 0.002 Å
• b: 19.364 ± 0.002 Å
• c: 19.401 ± 0.002 Å
• α: 68.021 ± 0.006°
• β: 88.515 ± 0.007°
• γ: 67.719 ± 0.006°
• Cell volume: 5968.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1385
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2821
• Weighted residual factors for all reflections included in the refinement: 0.3245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No